methyl 2-[2-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxy]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[1-oxo-2-[(7-oxo-3-benzo[a]phenalenyl)thio]ethoxy]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[2-[(7-ketobenzo[a]phenalen-3-yl)thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C29H21NO6S MolecularWeight: 511.54514

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CSC2=C3C=CC=C4C3=C(C=C2)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H21NO6S/c1-35-29(34)20-9-4-5-12-23(20)30-25(31)15-36-26(32)16-37-24-14-13-18-17-7-2-3-8-19(17)28(33)22-11-6-10-21(24)27(18)22/h2-14H,15-16H2,1H3,(H,30,31)